| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 17 | Yes |
Popular Name: 4-[(Methyl-piperidin-4-yl-amino)-methyl]-benzonitrile hydrochloride 4-[(Methyl-piperidin-4-yl-amino)…
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CAS Number: 1353972-57-2
4-((Methyl(piperidin-4-yl)amino)methyl)benzonitrile hydrochloride
4-[(Methyl-piperidin-4-yl-amino)-methyl]-benzonitrilehydrochloride
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.32 | 5.16 | -44.67 | 2 | 3 | 1 | 44 | 230.335 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 6.1 | -45.38 | 2 | 3 | 1 | 40 | 230.335 | 3 | ↓ |
